(2-chlorophenyl){4-[1-(3-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(2-chlorophenyl){4-[1-(3-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
(2-chlorophenyl){4-[1-(3-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V028-2410 |
| Compound Name: | (2-chlorophenyl){4-[1-(3-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 495.41 |
| Molecular Formula: | C25 H24 Cl2 N6 O |
| Salt: | not_available |
| Smiles: | CCc1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5901 |
| logD: | 5.5383 |
| logSw: | -5.8471 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.4 |
| InChI Key: | MGJSJNZCHTXGIA-UHFFFAOYSA-N |